CID 24711844

2-(propan-2-yloxy)benzene-1-carbothioamide

Structural Information

Molecular Formula
C10H13NOS
SMILES
CC(C)OC1=CC=CC=C1C(=S)N
InChI
InChI=1S/C10H13NOS/c1-7(2)12-9-6-4-3-5-8(9)10(11)13/h3-7H,1-2H3,(H2,11,13)
InChIKey
QFVSGYWXUZTOSW-UHFFFAOYSA-N
Compound name
2-propan-2-yloxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0718 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07908 141.9
[M+Na]+ 218.06102 148.8
[M-H]- 194.06452 145.3
[M+NH4]+ 213.10562 161.4
[M+K]+ 234.03496 145.9
[M+H-H2O]+ 178.06906 135.9
[M+HCOO]- 240.07000 159.4
[M+CH3COO]- 254.08565 186.3
[M+Na-2H]- 216.04647 142.6
[M]+ 195.07125 142.4
[M]- 195.07235 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.